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Compile Data Set for Download or QSAR

Found 61 hits from CRC Laboratory   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029238
PNG
(CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029237
PNG
(2-Pyridin-4-yl-propionic acid (S)-2,6,6-trimethyl-...)
Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1
Show InChI InChI=1S/C18H25NO2/c1-11(13-5-7-19-8-6-13)17(20)21-16-10-14-9-15(12(16)2)18(14,3)4/h5-8,11-12,14-16H,9-10H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029237
PNG
(2-Pyridin-4-yl-propionic acid (S)-2,6,6-trimethyl-...)
Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1
Show InChI InChI=1S/C18H25NO2/c1-11(13-5-7-19-8-6-13)17(20)21-16-10-14-9-15(12(16)2)18(14,3)4/h5-8,11-12,14-16H,9-10H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029228
PNG
(2-Pyridin-4-yl-butyric acid (S)-2,6,6-trimethyl-bi...)
Show SMILES CCC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1
Show InChI InChI=1S/C19H27NO2/c1-5-15(13-6-8-20-9-7-13)18(21)22-17-11-14-10-16(12(17)2)19(14,3)4/h6-9,12,14-17H,5,10-11H2,1-4H3/t12-,14?,15?,16?,17?/m0/s1
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n/an/a 9n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029228
PNG
(2-Pyridin-4-yl-butyric acid (S)-2,6,6-trimethyl-bi...)
Show SMILES CCC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1
Show InChI InChI=1S/C19H27NO2/c1-5-15(13-6-8-20-9-7-13)18(21)22-17-11-14-10-16(12(17)2)19(14,3)4/h6-9,12,14-17H,5,10-11H2,1-4H3/t12-,14?,15?,16?,17?/m0/s1
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n/an/a 9n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029240
PNG
(2-Methyl-2-pyridin-4-yl-propionic acid (S)-2,6,6-t...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1ccncc1)C2(C)C
Show InChI InChI=1S/C19H27NO2/c1-12-15-10-14(18(15,2)3)11-16(12)22-17(21)19(4,5)13-6-8-20-9-7-13/h6-9,12,14-16H,10-11H2,1-5H3/t12-,14?,15?,16?/m0/s1
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n/an/a 10n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029229
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid adamantan-1...)
Show SMILES CC(C)(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1
Show InChI InChI=1S/C19H25NO2/c1-18(2,16-4-3-5-20-12-16)17(21)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h3-5,12-15H,6-11H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029229
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid adamantan-1...)
Show SMILES CC(C)(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1
Show InChI InChI=1S/C19H25NO2/c1-18(2,16-4-3-5-20-12-16)17(21)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h3-5,12-15H,6-11H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029230
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid 2-methyl-ad...)
Show SMILES CC(C)(C(=O)OC1(C)C2CC3CC(C2)CC1C3)c1cccnc1
Show InChI InChI=1S/C20H27NO2/c1-19(2,15-5-4-6-21-12-15)18(22)23-20(3)16-8-13-7-14(10-16)11-17(20)9-13/h4-6,12-14,16-17H,7-11H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029230
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid 2-methyl-ad...)
Show SMILES CC(C)(C(=O)OC1(C)C2CC3CC(C2)CC1C3)c1cccnc1
Show InChI InChI=1S/C20H27NO2/c1-19(2,15-5-4-6-21-12-15)18(22)23-20(3)16-8-13-7-14(10-16)11-17(20)9-13/h4-6,12-14,16-17H,7-11H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029241
PNG
(2-Pyridin-3-yl-propionic acid (S)-2,6,6-trimethyl-...)
Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1cccnc1
Show InChI InChI=1S/C18H25NO2/c1-11(13-6-5-7-19-10-13)17(20)21-16-9-14-8-15(12(16)2)18(14,3)4/h5-7,10-12,14-16H,8-9H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1
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n/an/a 14n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029238
PNG
(CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 14n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029242
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid (S)-2,6,6-t...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C
Show InChI InChI=1S/C19H27NO2/c1-12-15-9-14(18(15,2)3)10-16(12)22-17(21)19(4,5)13-7-6-8-20-11-13/h6-8,11-12,14-16H,9-10H2,1-5H3/t12-,14?,15?,16?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029242
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid (S)-2,6,6-t...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C
Show InChI InChI=1S/C19H27NO2/c1-12-15-9-14(18(15,2)3)10-16(12)22-17(21)19(4,5)13-7-6-8-20-11-13/h6-8,11-12,14-16H,9-10H2,1-5H3/t12-,14?,15?,16?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029240
PNG
(2-Methyl-2-pyridin-4-yl-propionic acid (S)-2,6,6-t...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1ccncc1)C2(C)C
Show InChI InChI=1S/C19H27NO2/c1-12-15-10-14(18(15,2)3)11-16(12)22-17(21)19(4,5)13-6-8-20-9-7-13/h6-9,12,14-16H,10-11H2,1-5H3/t12-,14?,15?,16?/m0/s1
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n/an/a 26n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029226
PNG
(2-Pyridin-3-yl-propionic acid adamantan-1-yl ester...)
Show SMILES CC(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1
Show InChI InChI=1/C18H23NO2/c1-12(16-3-2-4-19-11-16)17(20)21-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,11-15H,5-10H2,1H3
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n/an/a 35n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029236
PNG
(2-Ethyl-2-pyridin-4-yl-butyric acid (S)-2,6,6-trim...)
Show SMILES CCC(CC)(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1
Show InChI InChI=1S/C21H31NO2/c1-6-21(7-2,15-8-10-22-11-9-15)19(23)24-18-13-16-12-17(14(18)3)20(16,4)5/h8-11,14,16-18H,6-7,12-13H2,1-5H3/t14-,16?,17?,18?/m0/s1
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n/an/a 35n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029226
PNG
(2-Pyridin-3-yl-propionic acid adamantan-1-yl ester...)
Show SMILES CC(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1
Show InChI InChI=1/C18H23NO2/c1-12(16-3-2-4-19-11-16)17(20)21-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,11-15H,5-10H2,1H3
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n/an/a 35n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029227
PNG
(CHEMBL135095 | Pyridin-3-yl-acetic acid (3R,6R)-3,...)
Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1
Show InChI InChI=1S/C22H31NO2/c1-15-7-8-17-20(2,3)18-13-22(15,17)10-9-21(18,4)25-19(24)12-16-6-5-11-23-14-16/h5-6,11,14-15,17-18H,7-10,12-13H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1
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n/an/a 38n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029227
PNG
(CHEMBL135095 | Pyridin-3-yl-acetic acid (3R,6R)-3,...)
Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1
Show InChI InChI=1S/C22H31NO2/c1-15-7-8-17-20(2,3)18-13-22(15,17)10-9-21(18,4)25-19(24)12-16-6-5-11-23-14-16/h5-6,11,14-15,17-18H,7-10,12-13H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1
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n/an/a 38n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50029242
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid (S)-2,6,6-t...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C
Show InChI InChI=1S/C19H27NO2/c1-12-15-9-14(18(15,2)3)10-16(12)22-17(21)19(4,5)13-7-6-8-20-11-13/h6-8,11-12,14-16H,9-10H2,1-5H3/t12-,14?,15?,16?/m0/s1
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n/an/a 47n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Inhibition of rat testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50029242
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid (S)-2,6,6-t...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C
Show InChI InChI=1S/C19H27NO2/c1-12-15-9-14(18(15,2)3)10-16(12)22-17(21)19(4,5)13-7-6-8-20-11-13/h6-8,11-12,14-16H,9-10H2,1-5H3/t12-,14?,15?,16?/m0/s1
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n/an/a 52n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Inhibition of rat testicular C17,20-Lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029232
PNG
(CHEMBL134442 | Pyridin-4-yl-acetic acid (3R,6R)-3,...)
Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1ccncc1
Show InChI InChI=1S/C22H31NO2/c1-15-5-6-17-20(2,3)18-14-22(15,17)10-9-21(18,4)25-19(24)13-16-7-11-23-12-8-16/h7-8,11-12,15,17-18H,5-6,9-10,13-14H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1
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n/an/a 52n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/s2
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n/an/a 65n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/s2
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n/an/a 65n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029241
PNG
(2-Pyridin-3-yl-propionic acid (S)-2,6,6-trimethyl-...)
Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1cccnc1
Show InChI InChI=1S/C18H25NO2/c1-11(13-6-5-7-19-10-13)17(20)21-16-9-14-8-15(12(16)2)18(14,3)4/h5-7,10-12,14-16H,8-9H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1
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n/an/a 82n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029239
PNG
(CHEMBL131984 | Pyridin-3-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-8-13(17(14,2)3)9-15(11)20-16(19)7-12-5-4-6-18-10-12/h4-6,10-11,13-15H,7-9H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 88n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50029238
PNG
(CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 120n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029233
PNG
(CHEMBL135037 | Pyridin-3-yl-acetic acid adamantan-...)
Show SMILES O=C(Cc1cccnc1)OC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H21NO2/c19-16(7-12-2-1-3-18-11-12)20-17-8-13-4-14(9-17)6-15(5-13)10-17/h1-3,11,13-15H,4-10H2
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n/an/a 130n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029236
PNG
(2-Ethyl-2-pyridin-4-yl-butyric acid (S)-2,6,6-trim...)
Show SMILES CCC(CC)(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1
Show InChI InChI=1S/C21H31NO2/c1-6-21(7-2,15-8-10-22-11-9-15)19(23)24-18-13-16-12-17(14(18)3)20(16,4)5/h8-11,14,16-18H,6-7,12-13H2,1-5H3/t14-,16?,17?,18?/m0/s1
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n/an/a 140n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50029238
PNG
(CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 260n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Inhibition of rat testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029239
PNG
(CHEMBL131984 | Pyridin-3-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-8-13(17(14,2)3)9-15(11)20-16(19)7-12-5-4-6-18-10-12/h4-6,10-11,13-15H,7-9H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 260n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029232
PNG
(CHEMBL134442 | Pyridin-4-yl-acetic acid (3R,6R)-3,...)
Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1ccncc1
Show InChI InChI=1S/C22H31NO2/c1-15-5-6-17-20(2,3)18-14-22(15,17)10-9-21(18,4)25-19(24)13-16-7-11-23-12-8-16/h7-8,11-12,15,17-18H,5-6,9-10,13-14H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1
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n/an/a 270n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50029238
PNG
(CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 280n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Inhibition of rat testicular C17,20-Lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029235
PNG
(CHEMBL3084924 | Pyridin-3-yl-acetic acid 2-methyl-...)
Show SMILES CC1(OC(=O)Cc2cccnc2)C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C18H23NO2/c1-18(21-17(20)10-12-3-2-4-19-11-12)15-6-13-5-14(8-15)9-16(18)7-13/h2-4,11,13-16H,5-10H2,1H3
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n/an/a 320n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50029232
PNG
(CHEMBL134442 | Pyridin-4-yl-acetic acid (3R,6R)-3,...)
Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1ccncc1
Show InChI InChI=1S/C22H31NO2/c1-15-5-6-17-20(2,3)18-14-22(15,17)10-9-21(18,4)25-19(24)13-16-7-11-23-12-8-16/h7-8,11-12,15,17-18H,5-6,9-10,13-14H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1
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n/an/a 440n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50029239
PNG
(CHEMBL131984 | Pyridin-3-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-8-13(17(14,2)3)9-15(11)20-16(19)7-12-5-4-6-18-10-12/h4-6,10-11,13-15H,7-9H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 460n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Inhibition of rat testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50029239
PNG
(CHEMBL131984 | Pyridin-3-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-8-13(17(14,2)3)9-15(11)20-16(19)7-12-5-4-6-18-10-12/h4-6,10-11,13-15H,7-9H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 520n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Inhibition of rat testicular C17,20-Lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029231
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid (3R,6R)-3,6...)
Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)C(C)(C)c1cccnc1
Show InChI InChI=1S/C24H35NO2/c1-16-9-10-18-22(4,5)19-14-24(16,18)12-11-23(19,6)27-20(26)21(2,3)17-8-7-13-25-15-17/h7-8,13,15-16,18-19H,9-12,14H2,1-6H3/t16-,18?,19?,23-,24?/m1/s1
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n/an/a 670n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029233
PNG
(CHEMBL135037 | Pyridin-3-yl-acetic acid adamantan-...)
Show SMILES O=C(Cc1cccnc1)OC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H21NO2/c19-16(7-12-2-1-3-18-11-12)20-17-8-13-4-14(9-17)6-15(5-13)10-17/h1-3,11,13-15H,4-10H2
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n/an/a 930n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029234
PNG
(CHEMBL134748 | Pyridin-2-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccccn1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-8-12(17(14,2)3)9-15(11)20-16(19)10-13-6-4-5-7-18-13/h4-7,11-12,14-15H,8-10H2,1-3H3/t11-,12?,14?,15?/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029234
PNG
(CHEMBL134748 | Pyridin-2-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccccn1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-8-12(17(14,2)3)9-15(11)20-16(19)10-13-6-4-5-7-18-13/h4-7,11-12,14-15H,8-10H2,1-3H3/t11-,12?,14?,15?/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50029237
PNG
(2-Pyridin-4-yl-propionic acid (S)-2,6,6-trimethyl-...)
Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1
Show InChI InChI=1S/C18H25NO2/c1-11(13-5-7-19-8-6-13)17(20)21-16-10-14-9-15(12(16)2)18(14,3)4/h5-8,11-12,14-16H,9-10H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50029227
PNG
(CHEMBL135095 | Pyridin-3-yl-acetic acid (3R,6R)-3,...)
Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1
Show InChI InChI=1S/C22H31NO2/c1-15-7-8-17-20(2,3)18-13-22(15,17)10-9-21(18,4)25-19(24)12-16-6-5-11-23-14-16/h5-6,11,14-15,17-18H,7-10,12-13H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029235
PNG
(CHEMBL3084924 | Pyridin-3-yl-acetic acid 2-methyl-...)
Show SMILES CC1(OC(=O)Cc2cccnc2)C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C18H23NO2/c1-18(21-17(20)10-12-3-2-4-19-11-12)15-6-13-5-14(8-15)9-16(18)7-13/h2-4,11,13-16H,5-10H2,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50029240
PNG
(2-Methyl-2-pyridin-4-yl-propionic acid (S)-2,6,6-t...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1ccncc1)C2(C)C
Show InChI InChI=1S/C19H27NO2/c1-12-15-10-14(18(15,2)3)11-16(12)22-17(21)19(4,5)13-6-8-20-9-7-13/h6-9,12,14-16H,10-11H2,1-5H3/t12-,14?,15?,16?/m0/s1
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n/an/a 3.85E+3n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50029228
PNG
(2-Pyridin-4-yl-butyric acid (S)-2,6,6-trimethyl-bi...)
Show SMILES CCC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1
Show InChI InChI=1S/C19H27NO2/c1-5-15(13-6-8-20-9-7-13)18(21)22-17-11-14-10-16(12(17)2)19(14,3)4/h6-9,12,14-17H,5,10-11H2,1-4H3/t12-,14?,15?,16?,17?/m0/s1
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n/an/a 3.96E+3n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50029231
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid (3R,6R)-3,6...)
Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)C(C)(C)c1cccnc1
Show InChI InChI=1S/C24H35NO2/c1-16-9-10-18-22(4,5)19-14-24(16,18)12-11-23(19,6)27-20(26)21(2,3)17-8-7-13-25-15-17/h7-8,13,15-16,18-19H,9-12,14H2,1-6H3/t16-,18?,19?,23-,24?/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50029239
PNG
(CHEMBL131984 | Pyridin-3-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-8-13(17(14,2)3)9-15(11)20-16(19)7-12-5-4-6-18-10-12/h4-6,10-11,13-15H,7-9H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/s2
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n/an/a 6.00E+3n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Inhibition of rat testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
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